ChemSpider 2D Image | 1-[3-(Aminomethyl)phenyl]-N-(5-{(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | C30H26F4N6O

1-[3-(Aminomethyl)phenyl]-N-(5-{(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

  • Molecular FormulaC30H26F4N6O
  • Average mass562.561 Da
  • Monoisotopic mass562.210449 Da
  • ChemSpider ID81368516
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[3-(Aminomethyl)phenyl]-N-(5-{(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
1-[3-(Aminométhyl)phényl]-N-(5-{(R)-(3-cyanophényl)[(cyclopropylméthyl)amino]méthyl}-2-fluorophényl)-3-(trifluorométhyl)-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
1-[3-(Aminomethyl)phenyl]-N-(5-{(R)-(3-cyanphenyl)[(cyclopropylmethyl)amino]methyl}-2-fluorphenyl)-3-(trifluormethyl)-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrazole-5-carboxamide, 1-[3-(aminomethyl)phenyl]-N-[5-[(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl]-3-(trifluoromethyl)- [ACD/Index Name]
1809010-50-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 621.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.5±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 145.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.15
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 2.37
ACD/KOC (pH 7.4): 18.13
Polar Surface Area: 109 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 404.8±7.0 cm3

Click to predict properties on the Chemicalize site






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